1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

C10H17N9O — CID 45219684

IUPAC1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCCCn1nnnc1NC(=O)NC(C)Cn1cncn1
InChIInChI=1S/C10H17N9O/c1-3-4-19-9(15-16-17-19)14-10(20)13-8(2)5-18-7-11-6-12-18/h6-8H,3-5H2,1-2H3,(H2,13,14,15,17,20)
InChIKeyOLJMDIBGJHPOFI-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.12
Rot. Bonds6

About 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 45219684) has the molecular formula C10H17N9O and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
PubChem CID45219684
Molecular FormulaC10H17N9O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCCCn1nnnc1NC(=O)NC(C)Cn1cncn1
InChIInChI=1S/C10H17N9O/c1-3-4-19-9(15-16-17-19)14-10(20)13-8(2)5-18-7-11-6-12-18/h6-8H,3-5H2,1-2H3,(H2,13,14,15,17,20)
InChIKeyOLJMDIBGJHPOFI-UHFFFAOYSA-N
XLogP-0.12
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The IUPAC name of 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (CID 45219684) is 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is CCCn1nnnc1NC(=O)NC(C)Cn1cncn1.
What is the InChIKey of 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The InChIKey is OLJMDIBGJHPOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N9O/c1-3-4-19-9(15-16-17-19)14-10(20)13-8(2)5-18-7-11-6-12-18/h6-8H,3-5H2,1-2H3,(H2,13,14,15,17,20).
What are the key properties of 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 279.31 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propyltetrazol-5-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 45219684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).